2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde

C13H19N3OS — CID 55160118

IUPAC2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(N2CCC(N3CCCCC3)C2)s1
InChIInChI=1S/C13H19N3OS/c17-10-12-8-14-13(18-12)16-7-4-11(9-16)15-5-2-1-3-6-15/h8,10-11H,1-7,9H2
InChIKeyVOGQVNGFVRXYJX-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.02
Rot. Bonds3

About 2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde

2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 55160118) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID55160118
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(N2CCC(N3CCCCC3)C2)s1
InChIInChI=1S/C13H19N3OS/c17-10-12-8-14-13(18-12)16-7-4-11(9-16)15-5-2-1-3-6-15/h8,10-11H,1-7,9H2
InChIKeyVOGQVNGFVRXYJX-UHFFFAOYSA-N
XLogP2.02
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 63168560
N-methyl-1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63168681
2-(3-piperidin-1-ylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
CID 79396667
2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62749950
4-tert-butyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 63513748
[2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62753857
2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62932559
2-(2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62757246
methyl 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazole-5-carboxylate
CID 80572590
2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 62757083
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79924400
2-(1,4-oxazepan-4-yl)-1,3-thiazole-5-carbaldehyde
CID 62967092

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde (CID 55160118) is 2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(N2CCC(N3CCCCC3)C2)s1.
What is the InChIKey of 2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is VOGQVNGFVRXYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c17-10-12-8-14-13(18-12)16-7-4-11(9-16)15-5-2-1-3-6-15/h8,10-11H,1-7,9H2.
What are the key properties of 2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde?
2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 265.38 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 55160118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).